Using VASP

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could you provide some examples for calculating CNT?

Last post by admin « Thu Mar 08, 2007 9:38 am

by admin » Thu Mar 08, 2007 9:38 am

0 Replies

2347 Views

Last post by admin
Thu Mar 08, 2007 9:38 am
about the RWIGS tag when calculating PDOS

Last post by admin « Thu Mar 08, 2007 8:30 am
Replies: 1
by lanjh » Thu Mar 08, 2007 2:05 am

1 Replies

3014 Views

Last post by admin
Thu Mar 08, 2007 8:30 am
Plotting DFT single particle orbitals

Last post by admin « Thu Mar 08, 2007 8:27 am
Replies: 3
by enrique » Thu Feb 15, 2007 8:57 pm

3 Replies

4173 Views

Last post by admin
Thu Mar 08, 2007 8:27 am
spd- and site projected wave function character ?

Last post by admin « Thu Mar 08, 2007 8:24 am
Replies: 1
by lahaye » Fri Feb 23, 2007 6:08 am

1 Replies

3826 Views

Last post by admin
Thu Mar 08, 2007 8:24 am
...DIPOL Flag in Berry`s phase calculations...

Last post by admin « Thu Mar 08, 2007 8:21 am
Replies: 1
by brocks » Tue Feb 13, 2007 5:14 pm

1 Replies

3547 Views

Last post by admin
Thu Mar 08, 2007 8:21 am
Optical properties for metals.

Last post by admin « Thu Mar 08, 2007 8:13 am
Replies: 1
by angie » Mon Feb 12, 2007 3:15 pm

1 Replies

3034 Views

Last post by admin
Thu Mar 08, 2007 8:13 am
Optimization of charged unit cell

Last post by admin « Thu Mar 08, 2007 8:12 am
Replies: 1
by Alenushka » Tue Jan 30, 2007 3:56 pm

1 Replies

4729 Views

Last post by admin
Thu Mar 08, 2007 8:12 am
tangential force in TST calculation

Last post by admin « Thu Mar 08, 2007 7:59 am
Replies: 1
by dido » Mon Jan 29, 2007 9:17 pm

1 Replies

2548 Views

Last post by admin
Thu Mar 08, 2007 7:59 am
how to avoid "WARNING " in relaxation

Last post by dtrinkle « Sat Mar 03, 2007 12:15 am
Replies: 1
by kanhere » Tue Feb 27, 2007 4:21 pm

1 Replies

4782 Views

Last post by dtrinkle
Sat Mar 03, 2007 12:15 am
How to set the DIRECTION of an external electric field in VASP?

Last post by salva « Mon Feb 19, 2007 2:29 pm
Replies: 2
by salva » Tue Feb 06, 2007 3:30 pm

2 Replies

3786 Views

Last post by salva
Mon Feb 19, 2007 2:29 pm
LORBMOM and the total energy

Last post by admin « Wed Feb 14, 2007 2:25 pm
Replies: 1
by bth20 » Fri Feb 02, 2007 7:26 pm

1 Replies

5792 Views

Last post by admin
Wed Feb 14, 2007 2:25 pm
Problem with PDOS, CeO2

Last post by admin « Mon Feb 12, 2007 3:21 pm
Replies: 1
by Rommy » Mon Jan 29, 2007 8:34 pm

1 Replies

3303 Views

Last post by admin
Mon Feb 12, 2007 3:21 pm
wavecar

Last post by admin « Mon Feb 12, 2007 2:28 pm
Replies: 1
by kanhere » Wed Jan 31, 2007 6:56 pm

1 Replies

3906 Views

Last post by admin
Mon Feb 12, 2007 2:28 pm
Units of SMASS

Last post by admin « Mon Feb 12, 2007 2:23 pm
Replies: 1
by sven » Thu Feb 01, 2007 3:16 pm

1 Replies

3604 Views

Last post by admin
Mon Feb 12, 2007 2:23 pm
about DIPOL flag in Berry's phase calculations

Last post by admin « Mon Feb 12, 2007 2:11 pm
Replies: 2
by brocks » Sun Feb 04, 2007 9:24 am

2 Replies

3549 Views

Last post by admin
Mon Feb 12, 2007 2:11 pm
How to simulate the existance of external electric field

Last post by admin « Mon Feb 12, 2007 2:01 pm
Replies: 1
by nus11 » Thu Feb 08, 2007 2:58 am

1 Replies

2634 Views

Last post by admin
Mon Feb 12, 2007 2:01 pm
meta-GGA

Last post by admin « Mon Feb 12, 2007 1:49 pm
Replies: 1
by vaspfan » Mon Feb 05, 2007 10:17 am

1 Replies

3209 Views

Last post by admin
Mon Feb 12, 2007 1:49 pm
about the INCAR

Last post by Alenushka « Tue Feb 06, 2007 1:43 pm
Replies: 6
by Jiaye Li » Sat Jan 20, 2007 2:32 am

6 Replies

5698 Views

Last post by Alenushka
Tue Feb 06, 2007 1:43 pm
how to calculate the number of electron of an adsorbed atom?

Last post by admin « Tue Feb 06, 2007 9:57 am

by admin » Tue Feb 06, 2007 9:57 am

0 Replies

2369 Views

Last post by admin
Tue Feb 06, 2007 9:57 am
DOS at certain temperature.

Last post by admin « Tue Feb 06, 2007 9:23 am
Replies: 1
by applelinux » Sun Jan 28, 2007 10:34 pm

1 Replies

2697 Views

Last post by admin
Tue Feb 06, 2007 9:23 am

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